Geometry & MOs

Info

ID:	337822
PubChem CID:	127258445
Reduced:	OC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	285.194008
ΔH_f, kcal/mol:	-144.97
Dipole, Da:	1.97
IP(EA), eV:	-10.58(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,8S)-2,3-dihydroxy-2-propan-2-yl-1,3,5,6,7,8-hexahydropyrrolizin-1-yl]methyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)C(C)(CC)CC

DOS

IR

Vibrations